기본 정보
- CAS
5849-69-4- 표준 SMILES
COC(=O)C1=C(C)N=c2s/c(=C/c3ccco3)c(=O)n2C1c1ccc(OC)cc1- InChIKey
QNILFBSCLAHVKW-LFIBNONCSA-N- 분자식
- C21H18N2O5S
- 평균 분자량
- 410.4 g/mol
- 단동위원소 질량
- 410.09364285
이름 및 식별자
- 우선 이름
- methyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
- IUPAC
- methyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
이름 및 동의어
5849-69-4methyl 2-(2-furylmethylene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateAC1NSO5Gmethyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateSCHEMBL13856110DTXSID60416668HMS1584E20STK832756AKOS000532480AKOS021988606AB00099227-01AG-690/37079172
이름 더 보기
SR-01000422108SR-01000422108-1(E)-methyl 2-(furan-2-ylmethylene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylatemethyl (2E)-2-(furan-2-ylmethylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylateMethyl (2E)-2-[(furan-2-yl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
데이터베이스 식별자
- CAS
5849-69-4- PubChem CID
- 5337151
- DTXSID
DTXSID60416668
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 107 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 782
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